6-(benzotriazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C26H39N7O2 MolecularWeight: 481.63356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C26H39N7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-25-24(33(34)35)26(29-21-28-25)32-23-19-16-15-18-22(23)30-31-32/h15-16,18-19,21H,2-14,17,20H2,1H3,(H,27,28,29)